Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics This journal is © The Owner Societies 2011 Infrared spectra of CS2 trimer: Observation of an isomer with D3 symmetry by M. Rezaei, J. Norooz Oliaee, N. Moazzen-Ahmadi, A.R.W. McKellar Table A-2. Observed transitions for the parallel band of CS2 trimer in the CS2 nu3 fundamental region (values in units of 1/cm). ********************************************************************************* J' Ka' J" Ka" Observed Calculated Obs-Calc Weight ********************************************************************************* 17 15 18 15 1545.03138 1545.03118 0.00019 0.20 17 12 18 12 1545.03138 1545.03122 0.00015 0.20 17 9 18 9 1545.03138 1545.03125 0.00012 0.20 17 6 18 6 1545.03138 1545.03128 0.00009 0.20 17 0 18 0 1545.03138 1545.03130 0.00007 0.20 17 3 18 3 1545.03138 1545.03129 0.00008 0.20 14 12 15 12 1545.13843 1545.13842 0.00000 0.20 14 9 15 9 1545.13843 1545.13845 -0.00002 0.20 14 6 15 6 1545.13843 1545.13847 -0.00004 0.20 14 3 15 3 1545.13843 1545.13849 -0.00006 0.20 13 12 14 12 1545.17372 1545.17406 -0.00034 0.20 13 9 14 9 1545.17372 1545.17409 -0.00037 0.20 13 6 14 6 1545.17372 1545.17412 -0.00040 0.20 13 3 14 3 1545.17372 1545.17413 -0.00041 0.20 13 0 14 0 1545.17372 1545.17414 -0.00042 0.20 12 9 13 9 1545.20909 1545.20970 -0.00061 0.25 12 12 13 12 1545.20909 1545.20967 -0.00058 0.25 12 6 13 6 1545.20909 1545.20972 -0.00063 0.25 12 3 13 3 1545.20909 1545.20974 -0.00065 0.25 11 9 12 9 1545.24493 1545.24526 -0.00033 0.25 11 6 12 6 1545.24493 1545.24528 -0.00035 0.25 11 3 12 3 1545.24493 1545.24530 -0.00037 0.25 11 0 12 0 1545.24493 1545.24530 -0.00037 0.25 10 9 11 9 1545.27997 1545.28078 -0.00081 0.25 10 6 11 6 1545.27997 1545.28080 -0.00083 0.25 10 3 11 3 1545.27997 1545.28081 -0.00084 0.25 8 6 9 6 1545.35106 1545.35171 -0.00065 0.33 8 3 9 3 1545.35106 1545.35172 -0.00066 0.33 6 6 7 6 1545.42265 1545.42245 0.00019 0.50 6 3 7 3 1545.42265 1545.42246 0.00018 0.50 5 0 6 0 1545.45786 1545.45777 0.00008 0.50 5 3 6 3 1545.45786 1545.45776 0.00009 0.50 3 3 4 3 1545.52822 1545.52824 -0.00002 0.33 3 0 4 0 1545.52822 1545.52825 -0.00003 0.33 1 0 0 0 1545.70355 1545.70371 -0.00016 1.00 3 0 2 0 1545.77367 1545.77359 0.00007 1.00 4 3 3 3 1545.80850 1545.80846 0.00003 1.00 5 3 4 3 1545.84341 1545.84330 0.00010 0.50 5 0 4 0 1545.84341 1545.84330 0.00010 0.50 6 3 5 3 1545.87821 1545.87809 0.00011 1.00 7 6 6 6 1545.91309 1545.91283 0.00025 0.50 8 6 7 6 1545.94771 1545.94753 0.00017 0.50 8 3 7 3 1545.94771 1545.94755 0.00015 0.50 9 6 8 6 1545.98243 1545.98220 0.00022 0.33 9 3 8 3 1545.98243 1545.98221 0.00021 0.33 9 0 8 0 1545.98243 1545.98222 0.00020 0.33 10 9 9 9 1546.01690 1546.01680 0.00009 0.33 10 6 9 6 1546.01690 1546.01682 0.00007 0.33 10 3 9 3 1546.01690 1546.01683 0.00006 0.33 11 9 10 9 1546.05149 1546.05137 0.00011 0.33 11 6 10 6 1546.05149 1546.05140 0.00008 0.33 11 3 10 3 1546.05149 1546.05141 0.00007 0.33 11 0 10 0 1546.05149 1546.05142 0.00006 0.33 12 9 11 9 1546.08586 1546.08591 -0.00005 0.33 12 6 11 6 1546.08586 1546.08593 -0.00007 0.33 12 3 11 3 1546.08586 1546.08595 -0.00009 0.33 13 12 12 12 1546.12042 1546.12037 0.00004 0.33 13 9 12 9 1546.12042 1546.12041 0.00000 0.33 13 6 12 6 1546.12042 1546.12043 -0.00001 0.33 13 3 12 3 1546.12042 1546.12044 -0.00002 0.33 13 0 12 0 1546.12042 1546.12045 -0.00003 0.33 14 6 13 6 1546.15475 1546.15488 -0.00013 0.33 14 12 13 12 1546.15475 1546.15482 -0.00007 0.33 14 9 13 9 1546.15475 1546.15486 -0.00011 0.33 14 3 13 3 1546.15475 1546.15489 -0.00014 0.33 15 3 14 3 1546.18927 1546.18930 -0.00003 0.33 15 12 14 12 1546.18927 1546.18923 0.00003 0.33 15 9 14 9 1546.18927 1546.18926 0.00000 0.33 15 6 14 6 1546.18927 1546.18929 -0.00002 0.33 15 0 14 0 1546.18927 1546.18931 -0.00004 0.33 16 15 15 15 1546.22342 1546.22356 -0.00014 0.25 16 12 15 12 1546.22342 1546.22360 -0.00018 0.25 16 9 15 9 1546.22342 1546.22363 -0.00021 0.25 16 6 15 6 1546.22342 1546.22365 -0.00023 0.25 16 3 15 3 1546.22342 1546.22367 -0.00025 0.25 17 3 16 3 1546.25855 1546.25799 0.00055 0.25 17 15 16 15 1546.25855 1546.25788 0.00066 0.25 17 12 16 12 1546.25855 1546.25792 0.00062 0.25 17 9 16 9 1546.25855 1546.25795 0.00059 0.25 17 6 16 6 1546.25855 1546.25798 0.00056 0.25 17 0 16 0 1546.25855 1546.25800 0.00054 0.25